Molecule

ID:33918

General Information
Structure
MolImage
Molecular Formula
C₃H₇ClN₂O
Molecular Mass
122.55348
Exact Mass
122.02469053
Charge
0
InChI
InChI=1S/C3H6N2O.ClH/c6-3-1-2-4-5-3;/h4H,1-2H2,(H,5,6);1H
InChIKey
HAYWTXQRYXYRAF-UHFFFAOYSA-N
Canonic Smiles
OC1=NNCC1.Cl
Isomeric Smiles
N1=C(CCN1)O.Cl
Calculated Properties
JChem
Acid pKa
7.298101
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.352407
LogD (pH = 7.4)
-0.7000114
Log P
-0.34514207
Molar Refractivity
31.9395
Polarizability
8.168249
Polar Surface Area
44.62
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation